Chemical Compound

(2S)-3-hydroxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(1R,4S,7R,12R,15S,18S,21S,24S,27S,30S,33S,36S,42S,45R,50R,53S,56S,59S,62S,65S,68R,75S,78S,81S,84S,89S,92S,95S)-42,62,75,78-tetrakis(4-aminobutyl)-50-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-27,81-bis(2-amino-2-oxoethyl)-15-(3-amino-3-oxopropyl)-4,18,36-tris(3-carbamimidamidopropyl)-65-(2-carboxyethyl)-30,53,56-tris[(1R)-1-hydroxyethyl]-33,59,92-tris(hydroxymethyl)-24-(1H-imidazol-5-ylmethyl)-89-(1H-indol-3-ylmethyl)-21-(2-methylpropyl)-84-(2-methylsulfanylethyl)-2,5,13,16,19,22,25,28,31,34,37,40,43,51,54,57,60,63,66,74,77,80,83,86,87,90,93,96-octacosaoxo-95-propan-2-yl-9,10,47,48,70,71-hexathia-3,6,14,17,20,23,26,29,32,35,38,41,44,52,55,58,61,64,67,73,76,79,82,85,88

CAS Registry Number 95751-30-7
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(2S)-3-hydroxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(1R,4S,7R,12R,15S,18S,21S,24S,27S,30S,33S,36S,42S,45R,50R,53S,56S,59S,62S,65S,68R,75S,78S,81S,84S,89S,92S,95S)-42,62,75,78-tetrakis(4-aminobutyl)-50-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-27,81-bis(2-amino-2-oxoethyl)-15-(3-amino-3-oxopropyl)-4,18,36-tris(3-carbamimidamidopropyl)-65-(2-carboxyethyl)-30,53,56-tris[(1R)-1-hydroxyethyl]-33,59,92-tris(hydroxymethyl)-24-(1H-imidazol-5-ylmethyl)-89-(1H-indol-3-ylmethyl)-21-(2-methylpropyl)-84-(2-methylsulfanylethyl)-2,5,13,16,19,22,25,28,31,34,37,40,43,51,54,57,60,63,66,74,77,80,83,86,87,90,93,96-octacosaoxo-95-propan-2-yl-9,10,47,48,70,71-hexathia-3,6,14,17,20,23,26,29,32,35,38,41,44,52,55,58,61,64,67,73,76,79,82,85,88 结构式
Primary record

(2S)-3-hydroxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(1R,4S,7R,12R,15S,18S,21S,24S,27S,30S,33S,36S,42S,45R,50R,53S,56S,59S,62S,65S,68R,75S,78S,81S,84S,89S,92S,95S)-42,62,75,78-tetrakis(4-aminobutyl)-50-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-27,81-bis(2-amino-2-oxoethyl)-15-(3-amino-3-oxopropyl)-4,18,36-tris(3-carbamimidamidopropyl)-65-(2-carboxyethyl)-30,53,56-tris[(1R)-1-hydroxyethyl]-33,59,92-tris(hydroxymethyl)-24-(1H-imidazol-5-ylmethyl)-89-(1H-indol-3-ylmethyl)-21-(2-methylpropyl)-84-(2-methylsulfanylethyl)-2,5,13,16,19,22,25,28,31,34,37,40,43,51,54,57,60,63,66,74,77,80,83,86,87,90,93,96-octacosaoxo-95-propan-2-yl-9,10,47,48,70,71-hexathia-3,6,14,17,20,23,26,29,32,35,38,41,44,52,55,58,61,64,67,73,76,79,82,85,88

库存
1,853 克
纯度
99.7 %
CAS
95751-30-7

化合物标识与属性

CAS
95751-30-7
PubChem CID
56842037
SMILES
C[C@H]([C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@@H]5CCC(=O)N5)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CCCCN)CCCCN)CC(=O)N)CCSC)CCCCN)CCCNC(=N)N)CO)[C@@H](C)O)CC(=O)N)CC6=CN=CN6)CC(C)C)CCCNC(=N)N)CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC7=CNC8=CC=CC=C87)CO)C(C)C)C(=O)N[C@@H](CC9=CC=C(C=C9)O)C(=O)N[C@@H](CO)C(=O)O)CCCNC(=N)N)CCC(=O)O)CCCCN)CO)[C@@H](C)O)O
Canonical SMILES
CSCC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCC(=O)N3)[C@@H](C)O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)O)CSSC[C@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c4ccccc14)NC3=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2

名称与同义词

  • CHARYBDOTOXIN
  • CTX Toxin
  • ChTX
  • Quinquestriatus Toxin
  • Toxin, CTX
  • Lqh alpha IT Recombinant
  • Toxin, Quinquestriatus
  • Charybdotoxin TFA
  • Charybdotoxin (reduced)
  • CHARYBDOTOXIN (Native)
  • RefChem:125070
  • D0U5OB
  • DTXSID30897182
  • 95751-30-7
  • Lqh alpha IT (Recombinant)
  • CHARYBDOTOXIN; TFA salt
  • SCHEMBL29424808
  • Charybdotoxin trifluoroacetate salt
  • CNVQLPPZGABUCM-LIGYZCPXSA-N
  • DTXCID701326593
  • BAT-006184
  • C176H277N57O55S7
  • C176H283N57O55S7
  • 115422-61-2
  • CID:56842037
  • DA-51822
  • FC110443
  • SID:53789879
  • C176-H277-N57-O55-S7
  • C176-H283-N57-O55-S7
  • pE-FTNVSCTTSKECWSVCQRLHNTSRGKCMNKKCRCYS-OH
  • D018999
  • (2S)-3-hydroxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(1R,4S,7R,12R,15S,18S,21S,24S,27S,30S,33S,36S,42S,45R,50R,53S,56S,59S,62S,65S,68R,75S,78S,81S,84S,89S,92S,95S)-42,62,75,78-tetrakis(4-aminobutyl)-50-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-27,81-bis(2-amino-2-oxoethyl)-15-(3-amino-3-oxopropyl)-4,18,36-tris(3-carbamimidamidopropyl)-65-(2-carboxyethyl)-30,53,56-tris[(1R)-1-hydroxyethyl]-33,59,92-tris(hydroxymethyl)-24-(1H-imidazol-5-ylmethyl)-89-(1H-indol-3-ylmethyl)-21-(2-methylpropyl)-84-(2-methylsulfanylethyl)-2,5,13,16,19,22,25,28,31,34,37,40,43,51,54,57,60,63,66,74,77,80,83,86,87,90,93,96-octacosaoxo-95-propan-2-yl-9,10,47,48,70,71-hexathia-3,6,14,17,20,23,26,29,32,35,38,41,44,52,55,58,61,64,67,73,76,79,82,85,88
  • B2694-127151
  • N0001-012931
  • N0001-020069
  • Pyr-Phe-Thr-Asn-Val-Ser-Cys-Thr-Thr-Ser-Lys-Glu-Cys-Trp-Ser-Val-Cys-Gln-Arg-Leu-His-Asn-Thr-Ser-Arg-Gly-Lys-Cys-Met-Asn-Lys-Lys-Cys- Arg-Cys-Tyr-Ser-OH
  • Pyr-Phe-Thr-Asn-Val-Ser-Cys-Thr-Thr-Ser-Lys-Glu-Cys-Trp-Ser-Val-Cys-Gln-Arg-Leu-His-Asn-Thr-Ser-Arg-Gly-Lys-Cys-Met-Asn-Lys-Lys-Cys-Arg-Cys-Tyr-Ser-OH